SCHEMBL8043072

SCHEMBL8043072

Nc1c(O)c(Cl)c2c(c1C(=O)O)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
DPP4 P27487 1/20 0.33
TNF P01375 2/20 0.32
NOD1 Q9Y239 2/20 0.32
TDP1 Q9NUW8 3/20 0.32
RECQL P46063 2/20 0.32
POLB P06746 1/20 0.31
CASP6 P55212 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTPN1 P18031 2/20 0.31
PTPRC P08575 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30888586 0.75 HTT (0.38) ALDH1A1MAPTMEN1KMT2ATNF
SCHEMBL5573410 0.74 PTPN1 (0.43) ALDH1A1MAPTMEN1KMT2ADPP4
SCHEMBL1258695 0.71 PTPN1 (0.42) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL8043075 0.69 DHODH (0.43) KDM4EHPGD
SCHEMBL8041784 0.68 DPP4 (0.36) ALDH1A1MAPTKDM4EKMT2AMAPK1
SCHEMBL8031083 0.68 DPP4 (0.36) ALDH1A1MAPTKDM4EKMT2AMAPK1
SCHEMBL17774715 0.65 TDP1 (0.41) ALDH1A1MAPTHPGDHSD17B10USP2
SCHEMBL728615 0.64 DPP4 (0.37) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL30888552 0.64 HSD17B10 (0.40) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL7940169 0.63 PTPN1 (0.41) ALDH1A1MAPTHPGDHSD17B10MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686144-B1 NEW COMPOUNDS UNIV MARYLAND (US) 2000-04-19 EP disclosed
US-5688945-A Compounds ASTRA AKTIEBOLAG (SE) 1997-11-18 US disclosed
US-5661183-A 3-hydroxy anthanilic acid derivatives THE UNIVERSITY OF MARYLAND (US) 1997-08-26 US disclosed
EP-0686144-A1 NEW COMPOUNDS Astra Aktiebolag (SE) 1995-12-13 EP disclosed
WO-1994019315-A1 NEW COMPOUNDS ASTRA AKTIEBOLAG (SE) 1994-09-01 WO disclosed